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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jun-2026 | Au_111_surface | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -226.23582414; eV | |||
| 8-Jun-2026 | Au_100_surface | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -110.66430911; eV | |||
| 8-Jun-2026 | Au_111_formate_precursor | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -247.65642761; eV | |||
| 8-Jun-2026 | Au_100_formate_precursor | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -132.37726401; eV | |||
| 8-Jun-2026 | Au_211_CO_precursor | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -284.46270019; eV | |||
| 8-Jun-2026 | Au_111_CO_precursor | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -247.67098543; eV | |||
| 8-Jun-2026 | Au_100_CO_precursor | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -132.32270802; eV | |||
| 8-Jun-2026 | Au_111_CO2_linear | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -248.56714783; eV | |||
| 8-Jun-2026 | Au_100_CO2_linear | D'Anania, Olga | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -133.19581049; eV |
Results 103471-103480 of 103542 (Search time: 0.058 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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